#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1w s ASN 2 N 0.00 5.03 -0.43 7.83 -0.87 -1.26 -5.07 114.94 120.17 2k1w s ASN 2 Ca 0.00 -0.13 0.08 0.00 -1.57 0.00 0.00 52.86 51.24 2k1w s ASN 2 Cb 0.00 -0.61 0.35 0.00 -0.02 0.00 0.00 41.25 40.97 2k1w s ASN 2 CO 0.00 -1.34 1.21 0.00 -2.57 0.00 0.00 177.10 174.40 2k1w n ALA 3 N -2.47 0.25 -2.69 0.60 0.00 -1.26 -4.98 120.51 109.96 2k1w n ALA 3 Ca 0.10 -1.47 -0.05 0.00 0.00 0.00 0.00 53.44 52.02 2k1w n ALA 3 Cb 0.60 -1.08 0.12 0.00 0.00 0.00 0.00 19.45 19.09 2k1w n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k1w n ALA 4 N -0.07 1.98 -3.45 0.00 0.00 -1.26 -5.08 120.51 112.63 2k1w n ALA 4 Ca 0.03 -1.26 -0.21 0.00 0.00 0.00 0.00 53.44 51.99 2k1w n ALA 4 Cb 0.77 -0.93 -0.11 0.00 0.00 0.00 0.00 19.45 19.18 2k1w n ALA 4 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k1w s GLU 5 N -0.01 0.28 -0.39 0.00 2.02 -1.26 -4.42 118.70 114.92 2k1w s GLU 5 Ca 0.17 -0.27 -0.02 0.00 0.02 0.00 0.00 54.97 54.87 2k1w s GLU 5 Cb 0.42 -0.83 0.10 0.00 0.10 0.00 0.00 34.13 33.92 2k1w s GLU 5 CO -0.10 -1.02 0.16 0.08 0.02 0.00 0.00 175.26 174.39 2k1w s VAL 6 N 2.28 3.16 -0.21 2.63 1.01 -1.17 -4.55 120.40 123.56 2k1w s VAL 6 Ca 0.09 -1.97 -0.07 0.00 0.00 0.00 0.00 61.98 60.04 2k1w s VAL 6 Cb -0.15 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 2k1w s VAL 6 CO -0.34 -0.59 0.05 -0.51 0.00 0.00 0.00 175.10 173.71 2k1w s ILE 7 N 1.14 4.43 0.05 2.22 2.07 -1.26 -1.86 121.20 127.99 2k1w s ILE 7 Ca 0.06 -0.15 -0.02 0.00 -1.41 0.00 0.00 60.65 59.13 2k1w s ILE 7 Cb -0.22 -3.02 -0.03 0.00 0.13 0.00 0.00 42.46 39.32 2k1w s ILE 7 CO -0.04 0.41 0.00 0.68 -1.91 0.00 0.00 174.94 174.09 2k1w s VAL 8 N 0.90 0.19 -0.06 4.00 -7.23 -0.73 -3.33 120.40 114.15 2k1w s VAL 8 Ca 0.03 -1.60 0.06 0.00 -1.81 0.00 0.00 61.98 58.66 2k1w s VAL 8 Cb -0.14 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.46 2k1w s VAL 8 CO 0.02 -0.88 -0.24 -0.31 -0.31 0.00 0.00 175.10 173.38 2k1w s TYR 9 N -3.58 2.32 -0.35 2.82 1.51 0.88 -1.94 117.35 119.01 2k1w s TYR 9 Ca 0.04 -0.69 0.04 0.00 -1.01 0.00 0.00 57.07 55.45 2k1w s TYR 9 Cb 0.05 -1.53 0.53 0.00 -0.11 0.00 0.00 41.96 40.90 2k1w s TYR 9 CO -0.09 -0.21 1.67 0.39 -1.11 0.00 0.00 175.55 176.20 2k1w n GLU 10 N 2.98 2.23 -1.67 -0.62 4.71 -1.24 -3.37 120.64 123.67 2k1w n GLU 10 Ca -0.18 -2.32 0.00 0.00 -0.01 0.00 0.00 57.16 54.66 2k1w n GLU 10 Cb 0.52 -1.93 0.00 0.00 -1.01 0.00 0.00 31.44 29.02 2k1w n GLU 10 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 2k1w n HIS 11 N -0.59 -0.18 -1.75 -0.32 -0.00 -1.26 -4.82 115.22 106.30 2k1w n HIS 11 Ca 0.43 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 58.24 2k1w n HIS 11 Cb 1.35 0.00 0.06 0.00 -0.12 0.00 0.00 29.99 31.28 2k1w n HIS 11 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2k1w s VAL 12 N -2.19 2.22 0.13 3.57 0.11 -0.67 -2.83 120.40 120.74 2k1w s VAL 12 Ca 0.00 0.13 -0.26 0.00 -2.93 0.00 0.00 61.98 58.92 2k1w s VAL 12 Cb 0.00 -2.99 -0.03 0.00 -1.53 0.00 0.00 36.38 31.83 2k1w s VAL 12 CO 0.00 -0.04 1.61 0.78 -3.33 0.00 0.00 175.10 174.12 2k1w h ASN 13 N 0.47 -1.01 -0.41 3.54 2.35 -1.90 0.22 115.58 118.84 2k1w h ASN 13 Ca -0.50 0.14 -0.26 0.00 -0.55 0.00 0.00 56.30 55.13 2k1w h ASN 13 Cb 1.32 0.42 -0.11 0.00 0.05 0.00 0.00 38.32 40.01 2k1w h ASN 13 CO 0.53 -0.37 0.26 2.22 -1.65 0.00 0.00 177.43 178.42 2k1w n PHE 14 N -5.41 1.07 0.00 1.19 -1.74 -1.26 -3.85 117.46 107.46 2k1w n PHE 14 Ca -0.04 -1.71 0.00 0.00 -0.56 0.00 0.00 57.45 55.15 2k1w n PHE 14 Cb 0.33 -0.96 0.00 0.00 1.52 0.00 0.00 39.48 40.37 2k1w n PHE 14 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2k1w n GLY 15 N 0.85 0.00 3.19 4.97 0.00 -0.46 -5.17 105.19 108.57 2k1w n GLY 15 Ca 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.17 2k1w n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1w s GLY 16 N 0.00 1.23 -0.06 -0.02 0.00 0.65 -3.83 107.32 105.29 2k1w s GLY 16 Ca 0.00 -1.59 -0.21 0.00 0.00 0.00 0.00 44.72 42.92 2k1w s GLY 16 CO 0.00 -1.42 0.60 1.25 0.00 0.00 0.00 173.10 173.53 2k1w s LYS 17 N -4.06 4.36 -0.54 2.90 2.20 -1.26 -4.94 119.74 118.40 2k1w s LYS 17 Ca 0.30 0.70 -0.20 0.00 -0.36 0.00 0.00 55.97 56.41 2k1w s LYS 17 Cb 0.07 -3.40 0.07 0.00 -1.51 0.00 0.00 37.83 33.06 2k1w s LYS 17 CO 0.06 0.21 0.70 -1.54 -0.36 0.00 0.00 175.35 174.43 2k1w s SER 18 N 0.36 6.23 -0.47 1.43 1.04 -1.26 -3.60 113.70 117.42 2k1w s SER 18 Ca 0.32 -0.95 -0.07 0.00 0.48 0.00 0.00 55.95 55.73 2k1w s SER 18 Cb -0.17 -2.32 0.12 0.00 0.10 0.00 0.00 66.02 63.75 2k1w s SER 18 CO 0.16 -1.02 0.31 0.12 0.98 0.00 0.00 173.24 173.79 2k1w s PHE 19 N 2.91 3.49 -0.33 5.02 5.36 -0.82 -4.98 117.98 128.62 2k1w s PHE 19 Ca 0.17 -2.12 -0.02 0.00 -0.96 0.00 0.00 56.93 54.00 2k1w s PHE 19 Cb -0.19 -3.40 0.07 0.00 -0.34 0.00 0.00 43.02 39.16 2k1w s PHE 19 CO 0.11 -0.98 0.06 0.34 -1.46 0.00 0.00 175.22 173.30 2k1w s ASP 20 N 2.25 4.98 0.11 6.13 2.15 -1.26 -1.78 116.67 129.26 2k1w s ASP 20 Ca 0.08 -1.55 -0.26 0.00 0.43 0.00 0.00 52.55 51.25 2k1w s ASP 20 Cb -0.24 -1.74 0.07 0.00 -0.30 0.00 0.00 42.92 40.71 2k1w s ASP 20 CO -0.02 -0.35 0.87 0.00 -0.17 0.00 0.00 175.17 175.49 2k1w s ALA 21 N 1.20 -1.66 -0.23 3.66 0.00 -0.78 -4.87 121.76 119.07 2k1w s ALA 21 Ca -0.00 0.43 -0.04 0.00 0.00 0.00 0.00 51.96 52.34 2k1w s ALA 21 Cb -0.21 0.62 0.12 0.00 0.00 0.00 0.00 23.12 23.65 2k1w s ALA 21 CO -0.02 -0.89 0.42 0.99 0.00 0.00 0.00 175.76 176.25 2k1w s THR 22 N -3.35 -0.66 -0.01 0.00 2.01 -1.26 -3.03 115.64 109.34 2k1w s THR 22 Ca 0.08 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.12 2k1w s THR 22 Cb -0.02 -0.77 0.01 0.00 0.01 0.00 0.00 72.50 71.73 2k1w s THR 22 CO -0.03 -0.04 0.52 -0.24 -0.69 0.00 0.00 174.62 174.14 2k1w n SER 23 N 5.38 -0.04 -3.03 3.53 2.88 -1.26 -4.98 113.62 116.11 2k1w n SER 23 Ca -0.05 -1.01 -0.16 0.00 -1.33 0.00 0.00 58.87 56.32 2k1w n SER 23 Cb 0.50 0.02 0.07 0.00 -0.75 0.00 0.00 64.21 64.05 2k1w n SER 23 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2k1w n ASP 24 N -0.04 -2.97 -4.88 -3.46 -0.08 -1.26 -5.00 116.55 98.86 2k1w n ASP 24 Ca -0.00 -0.50 -0.31 0.00 -1.51 0.00 0.00 54.79 52.47 2k1w n ASP 24 Cb 0.50 -4.32 0.03 0.00 2.34 0.00 0.00 41.12 39.67 2k1w n ASP 24 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2k1w s GLN 25 N -5.38 3.18 0.00 -0.67 1.11 -1.26 -4.94 119.66 111.70 2k1w s GLN 25 Ca 0.13 0.60 0.14 0.00 0.01 0.00 0.00 55.36 56.24 2k1w s GLN 25 Cb -0.06 -2.05 0.64 0.00 -1.01 0.00 0.00 33.01 30.54 2k1w s GLN 25 CO 0.61 -0.84 1.43 -0.35 0.01 0.00 0.00 175.29 176.15 2k1w n PRO 26 N -2.90 0.08 0.00 2.91 -0.04 -1.26 -4.88 135.00 128.90 2k1w n PRO 26 Ca 0.07 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2k1w n PRO 26 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2k1w n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k1w n GLY 27 N -0.06 1.13 3.17 0.55 0.00 -1.26 -4.06 105.19 104.66 2k1w n GLY 27 Ca 0.05 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 2k1w n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k1w s ALA 28 N -1.00 -0.19 -0.29 4.61 0.00 -1.26 -4.98 121.76 118.65 2k1w s ALA 28 Ca 0.00 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.46 2k1w s ALA 28 Cb 0.00 0.35 0.20 0.00 0.00 0.00 0.00 23.12 23.66 2k1w s ALA 28 CO 0.00 -0.41 0.60 0.20 0.00 0.00 0.00 175.76 176.15 2k1w s GLY 29 N -2.44 -1.14 0.14 0.00 0.00 -1.26 -4.39 107.32 98.22 2k1w s GLY 29 Ca -0.00 1.45 -0.24 0.00 0.00 0.00 0.00 44.72 45.92 2k1w s GLY 29 CO -0.07 3.54 0.71 0.51 0.00 0.00 0.00 173.10 177.79 2k1w s ASP 30 N 2.84 -0.45 -0.02 1.64 1.47 -1.26 -5.10 116.67 115.79 2k1w s ASP 30 Ca 0.15 -0.11 -0.20 0.00 1.18 0.00 0.00 52.55 53.57 2k1w s ASP 30 Cb -0.12 0.56 -0.05 0.00 -0.34 0.00 0.00 42.92 42.96 2k1w s ASP 30 CO -0.24 -0.93 0.57 0.20 0.68 0.00 0.00 175.17 175.45 2k1w s ASN 31 N -2.72 6.92 -0.10 2.11 0.01 -1.26 -4.21 114.94 115.68 2k1w s ASN 31 Ca 0.04 1.09 -0.33 0.00 -0.71 0.00 0.00 52.86 52.96 2k1w s ASN 31 Cb -0.02 -2.35 0.13 0.00 0.41 0.00 0.00 41.25 39.43 2k1w s ASN 31 CO -0.08 0.09 1.29 -0.76 -1.51 0.00 0.00 177.10 176.13 2k1w s LEU 32 N -0.08 -0.07 -0.22 0.60 1.43 -1.26 -4.99 118.68 114.09 2k1w s LEU 32 Ca 0.30 -0.07 0.09 0.00 -1.03 0.00 0.00 54.13 53.42 2k1w s LEU 32 Cb -0.18 1.31 0.59 0.00 0.03 0.00 0.00 46.19 47.94 2k1w s LEU 32 CO 0.16 -0.22 1.50 -3.20 0.23 0.00 0.00 176.35 174.82 2k1w n ASN 33 N -0.33 4.33 -2.78 2.29 5.15 -1.26 0.32 115.26 122.98 2k1w n ASN 33 Ca -0.05 -2.83 -0.01 0.00 -0.60 0.00 0.00 54.58 51.09 2k1w n ASN 33 Cb 0.61 -0.67 0.00 0.00 -0.53 0.00 0.00 39.78 39.19 2k1w n ASN 33 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2k1w n ASP 34 N 0.17 -6.92 -3.42 1.20 8.00 -1.26 -3.59 116.55 110.73 2k1w n ASP 34 Ca 0.27 0.04 -0.10 0.00 0.71 0.00 0.00 54.79 55.71 2k1w n ASP 34 Cb 1.07 -4.65 0.04 0.00 -0.02 0.00 0.00 41.12 37.56 2k1w n ASP 34 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2k1w n LYS 35 N -1.39 0.65 -1.58 -1.24 4.76 -1.26 -4.46 118.16 113.64 2k1w n LYS 35 Ca 0.02 -1.51 -0.49 0.00 -2.87 0.00 0.00 58.31 53.46 2k1w n LYS 35 Cb 0.48 -0.18 -0.04 0.00 -1.84 0.00 0.00 35.03 33.45 2k1w n LYS 35 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 2k1w n ILE 36 N -1.77 0.91 -4.20 -0.18 3.06 -1.26 -4.89 119.36 111.03 2k1w n ILE 36 Ca 0.08 -0.23 -0.12 0.00 -2.50 0.00 0.00 62.75 59.98 2k1w n ILE 36 Cb 0.30 -0.83 -0.10 0.00 0.54 0.00 0.00 39.64 39.55 2k1w n ILE 36 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 2k1w s SER 37 N -0.02 1.41 -0.31 9.51 0.15 -1.24 -1.66 113.70 121.54 2k1w s SER 37 Ca 0.73 -1.00 0.03 0.00 0.70 0.00 0.00 55.95 56.41 2k1w s SER 37 Cb -0.85 0.05 0.09 0.00 -1.71 0.00 0.00 66.02 63.59 2k1w s SER 37 CO 0.52 -0.41 0.00 -0.55 1.20 0.00 0.00 173.24 174.01 2k1w s SER 38 N -3.08 4.56 -0.34 5.45 0.15 -1.13 -4.04 113.70 115.26 2k1w s SER 38 Ca 0.14 -1.84 -0.07 0.00 0.70 0.00 0.00 55.95 54.87 2k1w s SER 38 Cb 0.04 -1.52 0.04 0.00 -1.71 0.00 0.00 66.02 62.87 2k1w s SER 38 CO -0.03 -0.32 0.12 -0.63 1.20 0.00 0.00 173.24 173.58 2k1w s ILE 39 N 1.04 3.84 -0.31 6.45 1.09 -0.90 -0.08 121.20 132.33 2k1w s ILE 39 Ca 0.04 -1.14 -0.02 0.00 -1.10 0.00 0.00 60.65 58.44 2k1w s ILE 39 Cb -0.19 -3.18 0.10 0.00 -1.06 0.00 0.00 42.46 38.13 2k1w s ILE 39 CO -0.08 -0.20 0.11 -0.75 -0.10 0.00 0.00 174.94 173.92 2k1w s LYS 40 N 1.41 0.58 0.03 2.79 2.20 -1.21 -1.84 119.74 123.69 2k1w s LYS 40 Ca -0.01 -0.96 -0.10 0.00 -0.36 0.00 0.00 55.97 54.54 2k1w s LYS 40 Cb -0.20 -1.74 0.01 0.00 -1.51 0.00 0.00 37.83 34.39 2k1w s LYS 40 CO 0.03 -1.01 0.22 0.08 -0.36 0.00 0.00 175.35 174.31 2k1w s VAL 41 N 1.70 0.09 -0.38 4.02 1.01 -1.25 -4.03 120.40 121.57 2k1w s VAL 41 Ca 0.10 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.31 2k1w s VAL 41 Cb -0.17 -0.81 0.13 0.00 0.00 0.00 0.00 36.38 35.53 2k1w s VAL 41 CO -0.27 -0.43 0.21 -0.75 0.00 0.00 0.00 175.10 173.86 2k1w s LYS 42 N -2.24 0.81 -0.31 2.72 2.20 -1.26 -2.26 119.74 119.40 2k1w s LYS 42 Ca -0.07 -1.52 -0.02 0.00 -0.36 0.00 0.00 55.97 54.00 2k1w s LYS 42 Cb -0.02 -1.71 0.19 0.00 -1.51 0.00 0.00 37.83 34.78 2k1w s LYS 42 CO -0.02 -1.17 0.80 -1.54 -0.36 0.00 0.00 175.35 173.06 2k1w s SER 43 N 0.89 -1.06 1.27 1.43 1.04 -1.26 -4.94 113.70 111.06 2k1w s SER 43 Ca 0.17 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.61 2k1w s SER 43 Cb -0.23 1.61 0.00 0.00 0.10 0.00 0.00 66.02 67.50 2k1w s SER 43 CO -0.02 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.63 2k1w n GLY 44 N 5.06 3.30 3.19 7.32 0.00 -1.23 -4.25 105.19 118.57 2k1w n GLY 44 Ca 0.07 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 2k1w n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k1w s THR 45 N 0.00 1.11 -0.01 2.61 -4.23 -1.15 -3.41 115.64 110.56 2k1w s THR 45 Ca 0.00 -1.46 0.02 0.00 -1.18 0.00 0.00 61.69 59.07 2k1w s THR 45 Cb 0.00 -1.22 -0.00 0.00 1.34 0.00 0.00 72.50 72.62 2k1w s THR 45 CO 0.00 -0.34 -0.06 0.26 -0.54 0.00 0.00 174.62 173.94 2k1w s TRP 46 N -1.71 0.56 -0.37 3.99 0.51 -0.97 -0.06 118.94 120.89 2k1w s TRP 46 Ca 0.02 -0.11 -0.16 0.00 -2.12 0.00 0.00 56.10 53.73 2k1w s TRP 46 Cb -0.07 -0.38 0.00 0.00 -0.81 0.00 0.00 33.47 32.21 2k1w s TRP 46 CO 0.02 -0.03 0.41 1.03 -0.51 0.00 0.00 176.95 177.87 2k1w s ARG 47 N -0.03 3.39 -0.16 4.98 3.00 -0.99 -1.95 118.95 127.19 2k1w s ARG 47 Ca 0.01 -0.51 -0.09 0.00 0.00 0.00 0.00 55.73 55.14 2k1w s ARG 47 Cb -0.04 -3.87 -0.04 0.00 0.00 0.00 0.00 34.95 31.00 2k1w s ARG 47 CO -0.00 -0.67 0.14 -0.06 0.00 0.00 0.00 175.30 174.71 2k1w s PHE 48 N 2.11 3.51 -0.28 -0.53 0.08 0.10 -3.11 117.98 119.87 2k1w s PHE 48 Ca 0.13 0.44 -0.15 0.00 0.12 0.00 0.00 56.93 57.47 2k1w s PHE 48 Cb -0.17 -2.05 0.09 0.00 -0.57 0.00 0.00 43.02 40.32 2k1w s PHE 48 CO 0.13 0.52 0.69 1.52 -0.10 0.00 0.00 175.22 177.98 2k1w s TYR 49 N -0.36 -1.10 -1.26 0.36 -0.85 -1.04 -0.22 117.35 112.88 2k1w s TYR 49 Ca 0.12 2.15 -0.07 0.00 -0.52 0.00 0.00 57.07 58.75 2k1w s TYR 49 Cb -0.12 0.66 0.18 0.00 0.38 0.00 0.00 41.96 43.06 2k1w s TYR 49 CO 0.01 -0.55 1.96 0.39 -1.52 0.00 0.00 175.55 175.85 2k1w n GLU 50 N 4.50 4.07 -3.10 -3.49 4.71 -1.25 -0.99 120.64 125.10 2k1w n GLU 50 Ca -0.19 -3.69 0.00 0.00 -0.01 0.00 0.00 57.16 53.28 2k1w n GLU 50 Cb 0.57 -2.77 0.00 0.00 -1.01 0.00 0.00 31.44 28.23 2k1w n GLU 50 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2k1w n TYR 51 N 2.79 0.00 -0.38 -0.32 4.01 -0.58 -4.63 117.16 118.04 2k1w n TYR 51 Ca 0.44 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.90 2k1w n TYR 51 Cb 0.32 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 39.62 2k1w n TYR 51 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 2k1w n ILE 52 N 0.85 0.00 0.71 -0.72 -5.35 -1.23 -4.25 119.36 109.37 2k1w n ILE 52 Ca 0.00 -0.25 0.05 0.00 -0.27 0.00 0.00 62.75 62.28 2k1w n ILE 52 Cb 0.00 -0.93 0.17 0.00 -1.74 0.00 0.00 39.64 37.14 2k1w n ILE 52 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2k1w n ASN 53 N -4.83 2.19 -2.68 7.28 5.15 -1.26 -3.97 115.26 117.15 2k1w n ASN 53 Ca 0.07 -2.07 -0.01 0.00 -0.60 0.00 0.00 54.58 51.96 2k1w n ASN 53 Cb 0.56 -0.30 0.10 0.00 -0.53 0.00 0.00 39.78 39.61 2k1w n ASN 53 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k1w n TYR 54 N 0.53 -0.97 0.00 1.20 4.11 -1.26 -5.00 117.16 115.77 2k1w n TYR 54 Ca 0.13 -1.81 0.00 0.00 -0.00 0.00 0.00 57.90 56.21 2k1w n TYR 54 Cb 0.38 0.97 0.00 0.00 -0.00 0.00 0.00 39.34 40.68 2k1w n TYR 54 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2k1w n GLY 55 N -1.21 -1.81 2.11 -7.48 0.00 -1.25 -5.19 105.19 90.37 2k1w n GLY 55 Ca -0.10 0.74 -0.05 0.00 0.00 0.00 0.00 46.02 46.61 2k1w n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1w n GLY 56 N 0.00 1.41 3.57 -0.02 0.00 -1.26 -4.06 105.19 104.83 2k1w n GLY 56 Ca 0.00 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 2k1w n GLY 56 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k1w s ARG 57 N -2.05 3.33 -0.07 1.61 3.00 -1.26 -4.99 118.95 118.52 2k1w s ARG 57 Ca 0.09 0.11 -0.29 0.00 -1.00 0.00 0.00 55.73 54.64 2k1w s ARG 57 Cb -0.03 -4.11 -0.02 0.00 0.00 0.00 0.00 34.95 30.79 2k1w s ARG 57 CO 0.07 -1.93 0.94 -0.47 0.00 0.00 0.00 175.30 173.91 2k1w s TYR 58 N 5.56 3.56 -0.28 5.12 5.04 -1.26 -3.91 117.35 131.17 2k1w s TYR 58 Ca 0.42 1.56 0.02 0.00 -2.44 0.00 0.00 57.07 56.63 2k1w s TYR 58 Cb -0.08 -3.10 0.17 0.00 0.35 0.00 0.00 41.96 39.29 2k1w s TYR 58 CO 0.21 -0.12 0.47 -0.46 -1.34 0.00 0.00 175.55 174.32 2k1w s TRP 59 N 1.54 -1.27 0.25 4.97 -0.00 0.69 -5.00 118.94 120.12 2k1w s TRP 59 Ca 0.47 0.76 0.06 0.00 -0.00 0.00 0.00 56.10 57.39 2k1w s TRP 59 Cb -0.19 0.07 -0.03 0.00 -0.00 0.00 0.00 33.47 33.32 2k1w s TRP 59 CO 0.21 -0.96 0.30 0.16 -0.00 0.00 0.00 176.95 176.66 2k1w s ASP 60 N 2.65 6.00 0.15 5.86 -4.77 -1.26 0.03 116.67 125.33 2k1w s ASP 60 Ca 0.11 -0.06 -0.21 0.00 -3.30 0.00 0.00 52.55 49.09 2k1w s ASP 60 Cb -0.13 -1.67 0.06 0.00 -1.09 0.00 0.00 42.92 40.10 2k1w s ASP 60 CO -0.26 -0.07 0.54 -1.48 0.70 0.00 0.00 175.17 174.61 2k1w s LEU 61 N -3.93 -0.28 0.00 2.11 0.05 -0.82 -4.93 118.68 110.87 2k1w s LEU 61 Ca 0.34 -0.11 0.00 0.00 0.05 0.00 0.00 54.13 54.41 2k1w s LEU 61 Cb -0.09 2.38 0.00 0.00 -2.05 0.00 0.00 46.19 46.43 2k1w s LEU 61 CO 0.27 -0.95 0.00 0.61 -0.55 0.00 0.00 176.35 175.74 2k1w n GLY 62 N -0.34 -0.23 3.57 -3.48 0.00 -1.26 -2.29 105.19 101.17 2k1w n GLY 62 Ca -0.16 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 2k1w n GLY 62 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k1w s PRO 63 N -0.31 3.13 0.01 1.61 0.04 -1.22 -4.85 135.00 133.41 2k1w s PRO 63 Ca 0.00 0.70 -0.28 0.00 0.04 0.00 0.00 61.00 61.46 2k1w s PRO 63 Cb 0.00 -4.21 0.10 0.00 0.04 0.00 0.00 34.50 30.43 2k1w s PRO 63 CO 0.00 -2.13 0.87 0.20 0.04 0.00 0.00 177.00 175.98 2k1w s GLY 64 N 5.75 -0.47 -0.05 0.56 0.00 -0.96 -4.92 107.32 107.23 2k1w s GLY 64 Ca 0.62 0.96 0.01 0.00 0.00 0.00 0.00 44.72 46.31 2k1w s GLY 64 CO 0.26 0.32 -0.06 1.85 0.00 0.00 0.00 173.10 175.46 2k1w s GLU 65 N -3.16 2.74 0.17 2.90 -6.30 -1.26 -3.77 118.70 110.01 2k1w s GLU 65 Ca 0.05 -0.57 -0.23 0.00 -2.50 0.00 0.00 54.97 51.72 2k1w s GLU 65 Cb -0.01 -2.60 0.07 0.00 0.00 0.00 0.00 34.13 31.59 2k1w s GLU 65 CO -0.09 0.66 0.62 1.52 0.02 0.00 0.00 175.26 177.98 2k1w s TYR 66 N -0.87 -0.50 -0.49 5.30 1.13 -0.77 -5.01 117.35 116.15 2k1w s TYR 66 Ca 0.14 0.26 0.07 0.00 -1.41 0.00 0.00 57.07 56.13 2k1w s TYR 66 Cb -0.11 0.58 0.18 0.00 -1.10 0.00 0.00 41.96 41.51 2k1w s TYR 66 CO 0.03 -0.89 0.66 0.45 -2.51 0.00 0.00 175.55 173.29 2k1w s SER 67 N -2.76 -1.03 0.85 -0.18 0.15 -1.26 -2.11 113.70 107.36 2k1w s SER 67 Ca 0.02 -1.75 -0.12 0.00 0.70 0.00 0.00 55.95 54.80 2k1w s SER 67 Cb -0.02 1.59 0.13 0.00 -1.71 0.00 0.00 66.02 66.01 2k1w s SER 67 CO -0.11 -0.09 1.20 -0.44 1.20 0.00 0.00 173.24 175.00 2k1w s SER 68 N 0.94 3.95 0.00 5.45 0.01 -1.26 -4.89 113.70 117.91 2k1w s SER 68 Ca 0.28 0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.96 2k1w s SER 68 Cb -0.01 -0.74 0.00 0.00 0.21 0.00 0.00 66.02 65.48 2k1w s SER 68 CO -0.07 -2.20 0.63 1.33 0.41 0.00 0.00 173.24 173.34 2k1w n VAL 69 N -3.41 0.00 0.00 3.43 0.24 -1.26 -3.63 118.33 113.70 2k1w n VAL 69 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 2k1w n VAL 69 Cb 0.60 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 2k1w n VAL 69 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2k1w n GLU 70 N 0.00 0.00 -0.41 7.34 0.28 -1.26 -4.80 120.64 121.79 2k1w n GLU 70 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.04 2k1w n GLU 70 Cb 0.58 0.00 0.20 0.00 1.43 0.00 0.00 31.44 33.64 2k1w n GLU 70 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k1w n SER 71 N 0.00 3.15 -0.53 -1.84 2.88 -1.26 -3.65 113.62 112.37 2k1w n SER 71 Ca 0.00 -2.40 0.05 0.00 -1.33 0.00 0.00 58.87 55.19 2k1w n SER 71 Cb 0.00 -0.54 0.07 0.00 -0.75 0.00 0.00 64.21 62.99 2k1w n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k1w n ALA 72 N 0.34 2.34 -1.26 -1.46 0.00 -1.26 -5.05 120.51 114.17 2k1w n ALA 72 Ca 0.14 -2.01 0.00 0.00 0.00 0.00 0.00 53.44 51.57 2k1w n ALA 72 Cb 0.66 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.63 2k1w n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k1w n GLY 73 N -0.52 -4.50 2.70 0.00 0.00 -1.24 -4.95 105.19 96.68 2k1w n GLY 73 Ca 0.08 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 2k1w n GLY 73 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k1w n ILE 74 N 0.91 2.68 -0.06 -0.61 2.08 -1.26 -4.87 119.36 118.22 2k1w n ILE 74 Ca 0.00 -5.40 -0.04 0.00 0.56 0.00 0.00 62.75 57.88 2k1w n ILE 74 Cb 0.00 -1.68 -0.01 0.00 -0.75 0.00 0.00 39.64 37.20 2k1w n ILE 74 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 2k1w h PRO 75 N 3.49 0.00 -1.02 0.38 0.11 -1.80 -3.46 132.00 129.70 2k1w h PRO 75 Ca 0.16 0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.48 2k1w h PRO 75 Cb 0.58 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.36 2k1w h PRO 75 CO 0.82 0.00 0.74 0.34 -0.21 0.00 0.00 178.00 179.69 2k1w s ASP 76 N -5.31 -0.06 -0.27 -2.05 2.15 -1.24 -4.65 116.67 105.24 2k1w s ASP 76 Ca -0.12 0.10 -0.01 0.00 0.43 0.00 0.00 52.55 52.95 2k1w s ASP 76 Cb 0.02 1.03 0.19 0.00 -0.30 0.00 0.00 42.92 43.85 2k1w s ASP 76 CO 0.17 -0.02 2.00 -3.20 -0.17 0.00 0.00 175.17 173.96 2k1w n ASN 77 N 3.15 6.23 -4.90 -0.34 4.05 0.15 -4.53 115.26 119.06 2k1w n ASN 77 Ca -0.17 -2.96 -0.33 0.00 0.45 0.00 0.00 54.58 51.57 2k1w n ASN 77 Cb 0.56 -1.06 -0.05 0.00 1.23 0.00 0.00 39.78 40.47 2k1w n ASN 77 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2k1w s SER 78 N 0.42 6.38 -1.18 1.20 0.15 -1.25 -4.01 113.70 115.42 2k1w s SER 78 Ca 0.26 0.36 -0.07 0.00 0.70 0.00 0.00 55.95 57.21 2k1w s SER 78 Cb 0.21 -2.01 0.05 0.00 -1.71 0.00 0.00 66.02 62.56 2k1w s SER 78 CO -0.00 0.25 0.35 -0.38 1.20 0.00 0.00 173.24 174.66 2k1w n ILE 79 N 0.88 -0.87 -2.82 6.45 2.08 -1.26 -3.82 119.36 120.00 2k1w n ILE 79 Ca -0.10 0.00 -0.32 0.00 0.56 0.00 0.00 62.75 62.89 2k1w n ILE 79 Cb 0.52 -1.76 -0.06 0.00 -0.75 0.00 0.00 39.64 37.60 2k1w n ILE 79 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2k1w s SER 80 N -2.52 6.78 -0.12 4.38 0.01 -1.26 -1.53 113.70 119.44 2k1w s SER 80 Ca 0.28 1.49 -0.29 0.00 1.31 0.00 0.00 55.95 58.75 2k1w s SER 80 Cb -0.15 -2.47 0.07 0.00 0.21 0.00 0.00 66.02 63.69 2k1w s SER 80 CO 0.35 -0.37 0.70 -0.44 0.41 0.00 0.00 173.24 173.88 2k1w s SER 81 N -2.51 -0.68 -0.16 2.44 0.01 -0.16 -4.51 113.70 108.14 2k1w s SER 81 Ca 0.58 0.94 -0.08 0.00 1.31 0.00 0.00 55.95 58.70 2k1w s SER 81 Cb -0.10 0.82 0.06 0.00 0.21 0.00 0.00 66.02 67.02 2k1w s SER 81 CO 0.20 -0.50 0.37 0.72 0.41 0.00 0.00 173.24 174.45 2k1w s PHE 82 N -0.71 -0.56 -0.16 2.43 -0.71 -1.26 -2.48 117.98 114.54 2k1w s PHE 82 Ca -0.08 1.20 -0.01 0.00 -1.04 0.00 0.00 56.93 57.00 2k1w s PHE 82 Cb -0.02 0.22 -0.01 0.00 -1.21 0.00 0.00 43.02 42.00 2k1w s PHE 82 CO 0.07 -0.33 -0.10 -0.98 -1.34 0.00 0.00 175.22 172.54 2k1w s ARG 83 N 1.49 3.42 -0.00 1.99 1.70 -1.18 -4.17 118.95 122.19 2k1w s ARG 83 Ca -0.09 -0.65 -0.15 0.00 -0.47 0.00 0.00 55.73 54.37 2k1w s ARG 83 Cb -0.09 -2.76 -0.06 0.00 -0.57 0.00 0.00 34.95 31.47 2k1w s ARG 83 CO -0.12 0.11 0.42 -0.65 -1.08 0.00 0.00 175.30 173.98 2k1w s GLN 84 N 0.63 3.96 0.00 3.89 1.11 -1.26 -2.35 119.66 125.64 2k1w s GLN 84 Ca -0.06 0.43 0.14 0.00 0.01 0.00 0.00 55.36 55.89 2k1w s GLN 84 Cb -0.15 -3.23 0.11 0.00 -1.01 0.00 0.00 33.01 28.73 2k1w s GLN 84 CO 0.03 0.66 0.95 -0.89 0.01 0.00 0.00 175.29 176.04